SCHEMBL9306814

SCHEMBL9306814

CCOc1c(C(=O)NCCNC2CCCCC2)sc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
CHRM5 P08912 5/20 0.46
CHRM2 P08172 4/20 0.46
CHRM3 P20309 3/20 0.46
NMT1 P30419 1/20 0.45
CXCR4 P61073 1/20 0.44
ALDH1A1 P00352 4/20 0.44
CHRM1 P11229 2/20 0.43
DRD2 P14416 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
CHRM4 P08173 1/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SENP5 Q96HI0 1/20 0.42
SENP2 Q9HC62 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL9306602 0.91 NMT1 (0.43) KDM4ECHRM5CHRM2CHRM3NMT1
SCHEMBL9024033 0.90 SENP5 (0.48) NMT1CXCR4ALDH1A1DRD2KMT2A
SCHEMBL9024516 0.90 SENP5 (0.48) NMT1CXCR4ALDH1A1DRD2KMT2A
Hydrochloric Acid SCHEMBL9305357 0.90 NMT1 (0.43) KDM4ECHRM5CHRM2CHRM3NMT1
Hydrochloric Acid SCHEMBL9304756 0.89 SENP5 (0.48) CHRM5CHRM2CHRM3NMT1CXCR4
Hydrochloric Acid SCHEMBL9306109 0.89 SENP5 (0.48) CHRM5CHRM2CHRM3NMT1CXCR4
Hydrochloric Acid SCHEMBL9306734 0.87 NMT1 (0.43) KDM4ECHRM5CHRM2CHRM3NMT1
Hydrochloric Acid SCHEMBL9024501 0.83 CXCR4 (0.51) KDM4ENMT1CXCR4ALDH1A1DRD2
Oxalic Acid SCHEMBL9025105 0.81 TAAR1 (0.49) KDM4ECXCR4ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL9306644 0.80 SENP5 (0.47) KDM4ECHRM5CHRM2CHRM3NMT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5338735-A For treatment of central nervous system disorders LILLY INDUSTRIES LIMITED (GB) 1994-08-16 US disclosed